SCHEMBL3065362

SCHEMBL3065362

NC(=O)C1CCN1C(=O)c1ccccc1-c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
PDK2 Q15119 1/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4B Q07343 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD11B1 P28845 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3058402 0.84 SCN9A (0.49) CDK4CCND1MEN1KMT2AALDH1A1
SCHEMBL3063120 0.84 ALDH1A1 (0.49) PDK2PIK3CDCYP2C9CYP2C19MAPK14
SCHEMBL1398880 0.83 TSHR (0.54) HTR1AHTR7ALDH1A1
SCHEMBL3063294 0.81 HCRTR2 (0.47) MAOBPDK2CDK4CCND1PDE4B
SCHEMBL3065365 0.80 HCRTR1 (0.42) CDK4CCND1MEN1KMT2ACYP2C9
SCHEMBL3058143 0.79 HCRTR1 (0.49) ALDH1A1
SCHEMBL1398915 0.76 HCRTR1 (0.47) PDK2MEN1KMT2AHTR7ALDH1A1
SCHEMBL3058144 0.76 CDK4 (0.46) CDK4CCND1MEN1KMT2AALDH1A1
SCHEMBL3048571 0.76 RORB (0.50) MAOBPDK2
SCHEMBL1572559 0.75 CFD (0.38) MAOBCDK4CCND1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R MAOB 251/4885PDK2 3039/4885CDK4 3780/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.